[DFTB-Plus-User] non-scc/Si_216 with provided binary 1.3p1

[Stefan Boresch]

Since Ben Hourahine in reply to my earlier question
asked, here are my details concerning 
the non-scc/Si_216 test. NOTE: I am using the statically linked
dftb+ executable from the download area.

Thanks,

Stefan

This really segfaults: stderror.log:

forrtl: severe (174): SIGSEGV, segmentation fault occurred
Image              PC                Routine            Line        Source             
dftb+              0000000003A99D5D  Unknown               Unknown  Unknown
dftb+              0000000003A97BF7  Unknown               Unknown  Unknown
dftb+              0000000003A3DEE4  Unknown               Unknown  Unknown
dftb+              0000000003A3DCF6  Unknown               Unknown  Unknown
dftb+              00000000039CE5D6  Unknown               Unknown  Unknown
dftb+              00000000039D2B50  Unknown               Unknown  Unknown
dftb+              0000000003ABB190  Unknown               Unknown  Unknown
dftb+              000000000049D6D1  Unknown               Unknown  Unknown
dftb+              000000000066E1BB  Unknown               Unknown  Unknown
dftb+              00000000004141A9  Unknown               Unknown  Unknown
dftb+              0000000000401FEE  Unknown               Unknown  Unknown
dftb+              0000000003ABCA1C  Unknown               Unknown  Unknown
dftb+              0000000000401ED7  Unknown               Unknown  Unknown
Command exited with non-zero status 174
0.06user 0.02system 0:00.09elapsed 98%CPU (0avgtext+0avgdata 12036maxresident)k
0inputs+1264outputs (0major+1525minor)pagefaults 0swaps

================================================================================
==
==   Density Functional based Tight Binding with a lot of extensions (DFTB+)    
==
==                              Release: 1.3 (p1)
==
==                            (ParserVersion = 5)
==
================================================================================


********************************************************************************
** Parsing and initializing
********************************************************************************

Interpreting input file 'dftb_in.hsd'
--------------------------------------------------------------------------------
***  Converting input from version  3 to version  5 ...
WARNING!
-> Keyword renamed to 'QR'.
Path: dftb_in/Hamiltonian/DFTB/Eigensolver/Standard
Line: 245-245 (File: dftb_in.hsd)

WARNING!
-> Keyword moved to Analysis block.
Path: dftb_in/Options/MullikenAnalysis
Line: 249-249 (File: dftb_in.hsd)

WARNING!
-> Keyword moved to Analysis block.
Path: dftb_in/Options/AtomResolvedEnergies
Line: 252-252 (File: dftb_in.hsd)

WARNING!
-> Keyword moved to Analysis block.
Path: dftb_in/Options/CalculateForces
Line: 250-250 (File: dftb_in.hsd)

WARNING!
-> Adding legacy step size for finite difference differentiation
Path: dftb_in/Hamiltonian/DFTB/Differentiation

***  Done.

Reading SK-files:
  ./Si-Si.skf
Done.


Processed input in HSD format written to 'dftb_pin.hsd'

Starting initialization...
--------------------------------------------------------------------------------
Mode:                        Static calculation
Self consistent charges:     No
Spin polarisation:           No
Nr. of up electrons:           432.000000
Nr. of down electrons:         432.000000
Periodic boundaries:         Yes
Diagonalizer:                Standard
Force evaluation method:     Traditional                                                                                                                                                                                             
Electronic temperature:        0.146997E-02
Included shells:            Si:  s, p
K-points and weights:           1:  0.250000 -0.250000  0.250000     0.250000
                                2: -0.250000 -0.250000  0.250000     0.250000
                                3:  0.250000  0.250000  0.250000     0.250000
                                4: -0.250000  0.250000  0.250000     0.250000
Extra options:
                             Mulliken analysis
                             Force calculation
Force type                   original
--------------------------------------------------------------------------------
 

********************************************************************************
** Geometry step: 0
********************************************************************************